1-(4-methoxyphenyl)-N-[4-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]cyclopentane-1-carboxamide

C27H36N2O3 — CID 125061190

About 1-(4-methoxyphenyl)-N-[4-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]cyclopentane-1-carboxamide

1-(4-methoxyphenyl)-N-[4-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]cyclopentane-1-carboxamide (PubChem CID 125061190) has the molecular formula C27H36N2O3 and a molecular weight of 436.60 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[4-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]cyclopentane-1-carboxamide.

Molecular Properties

• Compound Name: 1-(4-methoxyphenyl)-N-[4-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]cyclopentane-1-carboxamide
• PubChem CID: 125061190
• Molecular Formula: C27H36N2O3
• Molecular Weight: 436.60 g/mol
• Exact Mass: 436.27
• IUPAC Name: 1-(4-methoxyphenyl)-N-[4-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]cyclopentane-1-carboxamide
• SMILES: COc1ccc(C2(C(=O)Nc3ccc(OCCN4CCC[C@H](C)C4)cc3)CCCC2)cc1
• InChI: InChI=1S/C27H36N2O3/c1-21-6-5-17-29(20-21)18-19-32-25-13-9-23(10-14-25)28-26(30)27(15-3-4-16-27)22-7-11-24(31-2)12-8-22/h7-14,21H,3-6,15-20H2,1-2H3,(H,28,30)/t21-/m0/s1
• InChIKey: SRIBYIIIOFIOIG-NRFANRHFSA-N
• XLogP: 5.26
• TPSA: 50.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.60
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[4-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]cyclopentane-1-carboxamide?

The IUPAC name of 1-(4-methoxyphenyl)-N-[4-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]cyclopentane-1-carboxamide (CID 125061190) is 1-(4-methoxyphenyl)-N-[4-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]cyclopentane-1-carboxamide.

What is the SMILES notation for 1-(4-methoxyphenyl)-N-[4-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]cyclopentane-1-carboxamide?

The canonical SMILES for 1-(4-methoxyphenyl)-N-[4-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]cyclopentane-1-carboxamide is COc1ccc(C2(C(=O)Nc3ccc(OCCN4CCC[C@H](C)C4)cc3)CCCC2)cc1.

What is the InChIKey of 1-(4-methoxyphenyl)-N-[4-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]cyclopentane-1-carboxamide?

The InChIKey is SRIBYIIIOFIOIG-NRFANRHFSA-N. The full InChI is InChI=1S/C27H36N2O3/c1-21-6-5-17-29(20-21)18-19-32-25-13-9-23(10-14-25)28-26(30)27(15-3-4-16-27)22-7-11-24(31-2)12-8-22/h7-14,21H,3-6,15-20H2,1-2H3,(H,28,30)/t21-/m0/s1.

What are the key properties of 1-(4-methoxyphenyl)-N-[4-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]cyclopentane-1-carboxamide?

1-(4-methoxyphenyl)-N-[4-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]cyclopentane-1-carboxamide has a molecular weight of 436.60 g/mol, XLogP of 5.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-methoxyphenyl)-N-[4-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 125061190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).